6-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]hexanoic acid bromide

Systemtic Name: 6-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]hexanoic acid bromide Openeye Name: 6-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)hexanoic acid bromide CAS Name: 6-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-1-iumyl)hexanoic acid bromide IUPAC Name: 6-(5,6-dichloro-2-methyl-3-octylbenzimidazol-1-ium-1-yl)hexanoic acid bromide Traditional Name: 6-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)hexanoic acid bromide Formula: C22H33BrCl2N2O2 MolecularWeight: 508.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCCC(=O)O)C.[Br-]

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCCCC(=O)O)C.[Br-]

InChI

InChI=1S/C22H32Cl2N2O2.BrH/c1-3-4-5-6-7-10-13-25-17(2)26(14-11-8-9-12-22(27)28)21-16-19(24)18(23)15-20(21)25;/h15-16H,3-14H2,1-2H3;1H